SCHEMBL1099113

SCHEMBL1099113

C[C](C)c1ccccc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
ALOX15 P16050 1/20 0.74
AKR1C3 P42330 2/20 0.56
POLB P06746 1/20 0.56
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA4 P22748 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
KDM4E B2RXH2 2/20 0.54
HMGB1 P09429 2/20 0.54
HPGD P15428 2/20 0.54
NAPRT Q6XQN6 2/20 0.54
CA6 P23280 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA14 Q9ULX7 1/20 0.54
HSD17B10 Q99714 2/20 0.54
ESR1 P03372 1/20 0.54
ITGB3 P05106 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
Phthalic Acid SCHEMBL11323294 0.89 ALDH1A1 (0.82) ALDH1A1ALOX15AKR1C3POLBCA12
Phthalic Acid SCHEMBL28295178 0.89 ALDH1A1 (0.82) ALDH1A1ALOX15AKR1C3POLBCA12
Phthalic Acid SCHEMBL8398555 0.89 ALDH1A1 (0.82) ALDH1A1ALOX15AKR1C3POLBCA12
Phthalic Acid SCHEMBL2561870 0.89 ALDH1A1 (0.82) ALDH1A1ALOX15AKR1C3POLBCA12
Phthalic Acid SCHEMBL2777 0.89 ALDH1A1 (0.82) ALDH1A1ALOX15AKR1C3POLBCA12
Phthalic Acid SCHEMBL27618507 0.89 ALDH1A1 (0.82) ALDH1A1ALOX15AKR1C3POLBCA12
Phthalic Acid SCHEMBL29358471 0.89 ALDH1A1 (0.82) ALDH1A1ALOX15AKR1C3POLBCA12
Phthalic Acid SCHEMBL30100313 0.89 ALDH1A1 (0.82) ALDH1A1ALOX15AKR1C3POLBCA12
Phthalic Acid SCHEMBL7897915 0.89 ALDH1A1 (0.82) ALDH1A1ALOX15AKR1C3POLBCA12
Phthalic Acid SCHEMBL6383293 0.86 ALDH1A1 (0.78) ALDH1A1ALOX15AKR1C3POLBCA12

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-8153682-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-10 US disclosed