SCHEMBL9033776

SCHEMBL9033776

Cc1cc(N)cc(C(=O)CO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TPMT P51580 1/20 0.45
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
C1S P09871 1/20 0.39
PRSS3 P35030 1/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
HCAR1 Q9BXC0 1/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
PARP1 P09874 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33

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
SCHEMBL7266611 0.89 TPMT (0.54) TSHRALDH1A1TPMTPRSS1PRSS2
SCHEMBL14225090 0.85 KDM4E (0.38) ALDH1A1KMT2ANPC1KDM4ETDP1
SCHEMBL12837765 0.85 KDM4E (0.42) ALDH1A1KMT2ANPC1KDM4ETDP1
Glycolic Acid SCHEMBL9282210 0.79 ALDH1A1 (0.57) TSHRALDH1A1TPMTPRSS1PRSS2
SCHEMBL7194390 0.79 ALDH1A1 (0.57) TSHRALDH1A1TPMTPRSS1PRSS2
SCHEMBL12937368 0.78 KDM4E (0.44) TSHRALDH1A1TPMTKMT2AMAPT
SCHEMBL27633372 0.78 TPMT (0.41) TPMTKMT2AMAPTHCAR1HPGD
SCHEMBL9753152 0.78 HCAR1 (0.61) ALDH1A1TPMTKMT2AMAPTHCAR1
SCHEMBL6175987 0.78 TPMT (0.64) ALDH1A1TPMTKMT2AMAPTHCAR1
SCHEMBL11067897 0.77 NPC1 (0.36) TSHRALDH1A1GAAKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485984-B1 Diarylmethoxypiperidine derivatives UBE INDUSTRIES (JP) 1996-04-24 EP disclosed
US-5225559-A DIARYLMETHOXYPIPERIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1993-07-06 US disclosed
EP-0485984-A2 Diarylmethoxypiperidine derivatives UBE INDUSTRIES, LTD. (JP) 1992-05-20 EP disclosed
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 US disclosed