SCHEMBL7282201

SCHEMBL7282201

COC(=O)C(Cc1ccc(C(=O)O)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
ALOX15 P16050 1/20 0.65
TACR1 P25103 2/20 0.60
CTSL P07711 2/20 0.59
CTSB P07858 2/20 0.59
CTSS P25774 2/20 0.59
CTSK P43235 2/20 0.59
CYP3A4 P08684 3/20 0.58
TSHR P16473 3/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
KYNU Q16719 1/20 0.57
ATM Q13315 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
CAPN1 P07384 1/20 0.54
THRB P10828 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL29221343 0.92 TACR1 (0.63) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL7310753 0.92 TACR1 (0.63) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL329686 0.92 ALDH1A1 (0.74) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL7151822 0.92 ALDH1A1 (0.74) ALDH1A1ALOX15TACR1CTSLCTSB
Hydrochloric Acid SCHEMBL7928050 0.91 ALDH1A1 (0.72) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL7294741 0.90 ALDH1A1 (0.67) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL2420122 0.90 ALDH1A1 (0.67) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL5399986 0.90 ALDH1A1 (0.67) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL2402461 0.90 ALDH1A1 (0.67) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL7289712 0.90 TACR1 (0.63) ALDH1A1ALOX15TACR1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162305-A Calcium lowering in blood; hypoglycemic agents, analgesics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0330241-A2 Calcitonin derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-08-30 EP disclosed