SCHEMBL7357606

SCHEMBL7357606

Cc1ccccc1CC(CS)NC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.54
MME P08473 2/20 0.49
MMEL1 Q495T6 1/20 0.49
ECE1 P42892 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ANPEP P15144 2/20 0.41
ENPEP Q07075 2/20 0.41
FOLH1 Q04609 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
BCHE P06276 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9486724 1.00 CTRB1 (0.54) CTRB1MMEMMEL1ECE1ALDH1A1
SCHEMBL9458948 0.89 CTRB1 (0.58) CTRB1MMEECE1ALDH1A1HPGD
SCHEMBL9458824 0.86 CTRB1 (0.49) CTRB1MMEECE1ALDH1A1HPGD
SCHEMBL9459001 0.83 CTRB1 (0.44) CTRB1ECE1ALDH1A1NPC1RAB9A
SCHEMBL9459389 0.81 HTT (0.57) CTRB1MMEECE1ALDH1A1HPGD
SCHEMBL9459228 0.80 CTRB1 (0.53) CTRB1ECE1ALDH1A1HPGDGAA
SCHEMBL9459027 0.73 SLC7A5 (0.42) MMEMMEL1ALDH1A1HPGDTAS1R3
SCHEMBL9322253 0.72 CTRB1 (0.53) CTRB1MMEECE1
SCHEMBL11493557 0.71 CTRB1 (1.00) CTRB1MMEECE1
SCHEMBL9727410 0.70 LMNA (0.45) CTRB1MMEECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5232920-A For treating hypertension and congestive heart failure in mammals SCHERING CORPORATION (US) 1993-08-03 US claimed
JP-56033646-A None JP disclosed
EP-0563153-B1 N-(MERCAPTOALKYL)AMIDES SCHERING CORP (US) 1995-03-15 EP disclosed
EP-0563153-A1 N-(MERCAPTOALKYL)AMIDES. SCHERING CORP (US) 1993-10-06 EP disclosed
US-5232920-A For treating hypertension and congestive heart failure in mammals SCHERING CORPORATION (US) 1993-08-03 US disclosed
US-5206119-A Using nitrogen containing heterocyclic mercapto containing compound as stabilizer KONICA CORPORATION (JP) 1993-04-27 US disclosed
WO-1992011235-A1 N-(MERCAPTOALKYL)AMIDES SCHERING CORPORATION (US) 1992-07-09 WO disclosed
JP-S5633646-A PROCESSING METHOD FOR COLOR PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO LTD 1981-04-04 JP disclosed