SCHEMBL7130236

SCHEMBL7130236

CON=C(C(N)=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.60
GAA P10253 2/20 0.60
TSHR P16473 2/20 0.45
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
CDK5 Q00535 2/20 0.45
CDK5R1 Q15078 2/20 0.45
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
PARP1 P09874 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 4/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22758099 1.00 CYP2C19 (0.60) CYP2C19GAATSHRNPC1RAB9A
SCHEMBL8588467 0.89 CYP2C19 (0.52) CYP2C19GAATSHRNPC1RAB9A
SCHEMBL3958996 0.84 TSHR (0.48) CYP2C19GAATSHRNPC1RAB9A
SCHEMBL8007984 0.84 TSHR (0.48) CYP2C19GAATSHRNPC1RAB9A
SCHEMBL3689392 0.84 TSHR (0.48) CYP2C19GAATSHRNPC1RAB9A
SCHEMBL2045474 0.83 TSHR (0.44) CYP2C19GAATSHRNPC1RAB9A
SCHEMBL2045476 0.83 TSHR (0.44) CYP2C19GAATSHRNPC1RAB9A
SCHEMBL25314654 0.83 CYP2C19 (0.58) CYP2C19GAATSHRNPC1RAB9A
SCHEMBL11521468 0.83 CYP2C19 (0.58) CYP2C19GAATSHRNPC1RAB9A
SCHEMBL10332381 0.83 CA1 (0.47) CYP2C19GAATSHRMAPTCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4264597-A FUNGICIDES FUJISAWA PHARMACEUTICAL CO., LTD., NO. 3, 4-CHOME, DOSHOMACHI, HIGASHI-KU, OSAKA, JAPAN 1981-04-28 US claimed
CN-100383116-C Methoximinophenylacetic acid amides BAYER AG (DE) 2008-04-23 CN disclosed
CN-100383116-C Methoximinophenylacetic acid amides BAYER AG (DE) 2008-04-23 CN disclosed
EP-1105372-B1 METHOXIMINOPHENYLACETIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2003-06-11 EP disclosed
US-6403600-B1 FUNGICIDES. BAYER AKTIENGESELLSCHAFT (DE) 2002-06-11 US disclosed
US-6403600-B1 FUNGICIDES. BAYER AKTIENGESELLSCHAFT (DE) 2002-06-11 US disclosed
US-6403600-B1 FUNGICIDES. BAYER AKTIENGESELLSCHAFT (DE) 2002-06-11 US disclosed
CN-1316990-A Methoximinophenylacetic acid amides BAYER AG (DE) 2001-10-10 CN disclosed
CN-1316990-A Methoximinophenylacetic acid amides BAYER AG (DE) 2001-10-10 CN disclosed
EP-1105372-A1 METHOXIMINOPHENYLACETIC ACID AMIDES BAYER AG (DE) 2001-06-13 EP disclosed
EP-0271829-A2 Delta-hydroxy-beta-lysine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1988-06-22 EP disclosed
US-4725591-A USED WITH AMINO ACID DERIVATIVE ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-02-16 US disclosed
EP-0253337-A2 Tricyclic cepham compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-01-20 EP disclosed
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
EP-0250096-A1 Isoxazolone derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 EP disclosed
US-4342760-A ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1982-08-03 US disclosed
US-4264597-A FUNGICIDES FUJISAWA PHARMACEUTICAL CO., LTD., NO. 3, 4-CHOME, DOSHOMACHI, HIGASHI-KU, OSAKA, JAPAN 1981-04-28 US disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed