SCHEMBL4669945

SCHEMBL4669945

CCCC(C)(O[C]=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 4/20 0.36
SCN1A P35498 3/20 0.36
SCN2A Q99250 3/20 0.36
SCN3A Q9NY46 3/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
CYP1A1 P04798 1/20 0.35

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
SCHEMBL4675618 0.85 MAPK1 (0.39) MAPK1CYP2C19TSHRKMT2AHIF1A
SCHEMBL4669969 0.84 TSHR (0.38) TSHRRAB9AMAPTGAA
SCHEMBL4670349 0.80 CYP2C19 (0.37) MAPK1CYP2C19SCN1ASCN2ASCN3A
SCHEMBL5422612 0.79 TAAR1 (0.47) MAPK1CYP2C19LMNACYP1A2CYP3A4
SCHEMBL4671959 0.77 LMNA (0.35) MAPK1CYP2C19SCN1ASCN2ASCN3A
SCHEMBL9200437 0.77 CYP2C19 (0.38) CYP2C19SCN1ASCN2ASCN3ALMNA
SCHEMBL13166557 0.77 MAPK1 (0.41) MAPK1CYP2C19SCN1ASCN2ASCN3A
SCHEMBL8698884 0.76 KIF11 (0.41) LMNACYP2C9ALDH1A1MAPTL3MBTL1
SCHEMBL3481487 0.76 MAPK1 (0.40) MAPK1CYP2C19SCN1ASCN2ASCN3A
SCHEMBL11417714 0.76 MAPK1 (0.40) MAPK1CYP2C19SCN1ASCN2ASCN3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811475-A REACTING A CARBON WITH A POLYMER HAVING A REACTIVE GROUP AND A HYDROLYZABLE TERT-ALKYL ACRYLIC ESTER; PRINTING INKS; DIELECTRICS; HIGH ELECTRICAL RESISTANCE NIPPON OIL CO., LTD. (JP) 1998-09-22 US claimed
US-20080124552-A1 Particle With Rough Surface For Plating Or Vapor Deposition NISSHINBO INDUSTRIES, INC. (JP) 2008-05-29 US disclosed
US-5821277-A Thermosetting and procuring compositions for color filters and method for making the same NIPPON OIL CO., LTD. (JP) 1998-10-13 US disclosed