SCHEMBL10629956

SCHEMBL10629956

Cc1ccc(C(=O)O)c(-c2ccc3cc(C)ccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC7 Q8WUI4 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ MCL1 Q07820 2/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44

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
SCHEMBL6498971 0.85 HDAC7 (0.57) HDAC7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8673355 0.81 CSNK2A1 (0.59) HDAC7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9683573 0.81 HSD17B10 (0.58) HDAC7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31241243 0.81 HDAC7 (0.57) HDAC7ALDH1A1CSNK2A1MCL1POLB
SCHEMBL11154359 0.81 ALDH1A1 (0.55) HDAC7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3229733 0.80 HDAC7 (0.70) HDAC7ALDH1A1CSNK2A1ACMSDPOLB
SCHEMBL11491969 0.80 HDAC7 (0.51) HDAC7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5696709 0.80 SMN1; SMN2 (0.64) HDAC7ALDH1A1SMN1; SMN2CYP1A2MAOB
SCHEMBL6500578 0.79 HDAC7 (0.51) HDAC7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6489883 0.79 NPC1 (0.51) HDAC7ALDH1A1SMN1; SMN2CSNK2A1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4772742-A POLYESTER INTERMEDIATES AMOCO CORPORATION (US) 1988-09-20 — — US disclosed
US-4709080-A POLYESTERS STANDARD OIL COMPANY (US) 1987-11-24 — — US disclosed
Send feedback