SCHEMBL10653318

SCHEMBL10653318

O=C(NC1(C(=O)O)CCOc2ccc(F)cc21)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MGLL Q99685 2/20 0.43
AKR1B10 O60218 1/20 0.38
AKR1A1 P14550 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
KCNA5 P22460 1/20 0.37
RORC P51449 1/20 0.36
CASP3 P42574 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL10650449 1.00 AKR1B1 (0.47) AKR1B1MAPTNPC1ALDH1A1TP53
SCHEMBL10649392 0.92 AKR1B1 (0.46) AKR1B1MAPTNPC1ALDH1A1TP53
SCHEMBL10754485 0.85 AKR1B1 (0.49) AKR1B1MAPTNPC1ALDH1A1TP53
SCHEMBL10651430 0.84 AKR1B1 (0.46) AKR1B1MAPTNPC1ALDH1A1TP53
SCHEMBL10654468 0.84 AKR1B1 (0.46) AKR1B1MAPTNPC1ALDH1A1TP53
Phenethylamine SCHEMBL11073573 0.80 AKR1B1 (0.46) AKR1B1MAPTNPC1ALDH1A1TP53
SCHEMBL10571458 0.79 AKR1B1 (0.53) AKR1B1MAPTNPC1RAB9AAKR1B10
SCHEMBL10647002 0.79 AKR1B1 (0.53) AKR1B1MAPTNPC1ALDH1A1RAB9A
SCHEMBL10755930 0.78 SMN1; SMN2 (0.41) MAPTNPC1ALDH1A1TP53TSHR
SCHEMBL27282797 0.72 AKR1B1 (0.47) AKR1B1MAPTNPC1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0173522-B1 PROCESS AND INTERMEDIATES FOR SORBINIL PFIZER INC. (US) 1988-12-07 EP claimed
US-4704461-A Processes and intermediates for sorbinil PFIZER INC. (US) 1987-11-03 US claimed
EP-0173522-A2 Process and intermediates for sorbinil PFIZER INC. (US) 1986-03-05 EP claimed
CN-1004074-B Process for preparing sorbose acid 美国辉瑞有限公司 1989-05-03 CN disclosed
EP-0173522-B1 PROCESS AND INTERMEDIATES FOR SORBINIL PFIZER INC. (US) 1988-12-07 EP disclosed
US-4704461-A Processes and intermediates for sorbinil PFIZER INC. (US) 1987-11-03 US disclosed
CN-85104685-A The Preparation Method And Their Intermediate of CP-45634 1986-12-24 CN disclosed
US-4620019-A S-6-fluoro-4-aminochroman-4-carboxylic acid derivatives useful as intermediates for sorbinil PFIZER INC. (US) 1986-10-28 US disclosed
EP-0173522-A2 Process and intermediates for sorbinil PFIZER INC. (US) 1986-03-05 EP disclosed