SCHEMBL11002607

SCHEMBL11002607

CC1CC(C(=O)O)Cc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8370379 0.81 ALDH1A1 (0.42) TSHRKMT2AMTNR1AMTNR1BMEN1
SCHEMBL10810985 0.79 ABAT (0.46) TSHRAKR1C3AKR1C1NPSR1MAPT
SCHEMBL31065849 0.79 ABAT (0.46) TSHRAKR1C3AKR1C1NPSR1MAPT
SCHEMBL6660374 0.79 EDNRA (0.42) KMT2AAKR1C3AKR1C1HTR2CMAPT
SCHEMBL11005069 0.79 OPRM1 (0.40) SIGMAR1
Hydrochloric Acid SCHEMBL10810614 0.78 SIGMAR1 (0.45) TSHRAKR1C3AKR1C1NPSR1SIGMAR1
SCHEMBL10611457 0.76 FFAR1 (0.41) TSHRKMT2AMTNR1AMTNR1BMEN1
SCHEMBL29443025 0.75 AKR1C3 (0.50) AKR1C3AKR1C1MAPTSMN1; SMN2GAA
SCHEMBL289302 0.75 AKR1C3 (0.50) AKR1C3AKR1C1MAPTSMN1; SMN2GAA
SCHEMBL11002363 0.74 S1PR5 (0.49)

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-4530919-A A 1,2,3,4-tetrahydronaphthalene carboxylic acid PFIZER INC. (US) 1985-07-23 US disclosed
US-4374148-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-02-15 US disclosed
US-4305955-A ORAL HYPOGLYCEMIC AGENTS, CHROMAN-4-CARBOXYLIC ACID OR THIOCHROMAN-4-CARBOXYLIC ACID PFIZER INC. (US) 1981-12-15 US disclosed