SCHEMBL9644331

SCHEMBL9644331

CCc1ccc(C(CC)c2ccccc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALDH1A1 P00352 7/20 0.49
TDP1 Q9NUW8 2/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.41
ALOX15 P16050 1/20 0.41
SLC16A3 O15427 1/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
METAP2 P50579 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
SCHEMBL5428376 0.88 ALDH1A1 (0.51) ALDH1A1TDP1GAAKMT2APOLB
SCHEMBL133469 0.84 ALDH1A1 (0.52) ALDH1A1TDP1GAAKMT2APOLB
SCHEMBL8676459 0.80 ALDH1A1 (0.45) ALDH1A1TDP1GAAKMT2APOLB
SCHEMBL25437092 0.80 ALDH1A1 (0.47) ALDH1A1TDP1GAAKMT2APOLB
SCHEMBL9645052 0.80 CLCN2 (0.47) ALDH1A1TDP1GAAKMT2APOLB
SCHEMBL16824139 0.77 ALDH1A1 (0.47) ALDH1A1TDP1GAAKMT2APOLB
SCHEMBL3634935 0.77 TP53 (0.56) CRHBPCRHR2ALDH1A1TDP1KMT2A
Phthalic Acid SCHEMBL28190444 0.77 ALDH1A1 (0.64) ALDH1A1TDP1KMT2ATP53ALOX15
SCHEMBL13951792 0.75 ALDH1A1 (0.50) ALDH1A1TDP1GAAKMT2APOLB
SCHEMBL28205347 0.75 ALDH1A1 (0.49) ALDH1A1TDP1GAAKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130828-A Liquid crystal temperature sensor and materials MANCHESTER R&D PARTNERSHIP (US) 1992-07-14 US disclosed
US-4884877-A Liquid crystal temperature sensor and materials utilizing microencapsulated liquid crystal MANCHESTER R & D PARTNERSHIP (US) 1989-12-05 US disclosed
EP-0187768-A4 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS. FERGASON JAMES L 1989-03-09 EP disclosed
EP-0187768-A1 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS. FERGASON JAMES L 1986-07-23 EP disclosed
WO-1985005467-A1 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS FERGASON JAMES L 1985-12-05 WO disclosed