SCHEMBL10409407

SCHEMBL10409407

CC(c1ccccc1)(c1ccccc1)c1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
ALOX15 P16050 3/20 0.50
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HMGB1 P09429 1/20 0.43
HPGD P15428 1/20 0.43
CA6 P23280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5955915 0.84 ALDH1A1 (0.50) ALDH1A1ALOX15ESR1ESR2MAPT
SCHEMBL30090914 0.84 ALDH1A1 (0.50) ALDH1A1ALOX15ESR1ESR2MAPT
SCHEMBL19024410 0.81 MAPT (0.43) ALDH1A1ALOX15ESR1ESR2MAPT
SCHEMBL2214094 0.81 ALDH1A1 (0.56) ALDH1A1ALOX15ESR1MAPTKMT2A
SCHEMBL31028133 0.81 ALDH1A1 (0.56) ALDH1A1ALOX15ESR1MAPTCA12
SCHEMBL39249 0.81 ALDH1A1 (0.56) ALDH1A1ALOX15ESR1MAPTCA12
SCHEMBL28645883 0.81 ALDH1A1 (0.56) ALDH1A1ALOX15MAPTKMT2ACA12
Bicarbonate SCHEMBL10712127 0.81 ALDH1A1 (0.46) ALDH1A1ALOX15ESR1ESR2MAPT
SCHEMBL8616914 0.79 ALDH1A1 (0.54) ALDH1A1ALOX15ESR1MAPTCA12
SCHEMBL9120488 0.79 ALDH1A1 (0.54) ALDH1A1ALOX15ESR1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4963311-A GRAFTING A PHOSPHITE-MODIFIED POLYESTER BASED ON A CARBO DIACID AND A CARBO OR ACYCLIC GLYCOL TO A NYLON; SPINNING AND DRAWING ALLIED-SIGNAL (US) 1990-10-16 US disclosed