SCHEMBL9408280

SCHEMBL9408280

C=CCC(C(=O)O)C1CCC(c2ccc(OC)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ LDHA P00338 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ USP5 P45974 1/20 0.37

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
SCHEMBL9408295 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTCA1CA2
SCHEMBL9408223 0.96 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTCA1CA2
SCHEMBL9408231 0.96 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTCA1CA2
SCHEMBL9408458 0.86 SLC6A2 (0.39) ALDH1A1SMN1; SMN2MAPTFFAR1KDM4E
SCHEMBL9408448 0.86 SLC6A2 (0.39) ALDH1A1SMN1; SMN2MAPTFFAR1KDM4E
SCHEMBL9408314 0.85 IDO1 (0.47) ALDH1A1TSHRALOX15
SCHEMBL9408269 0.84 PRCP (0.37) ALDH1A1MAPTFFAR1TSHRCYP3A4
SCHEMBL9408201 0.84 FFAR4 (0.37) ALDH1A1SMN1; SMN2MAPTFFAR1LMNA
SCHEMBL9408397 0.83 CPA1 (0.39) ALDH1A1SMN1; SMN2KDM4EDRD2USP5
SCHEMBL9408355 0.83 IDO1 (0.42) MAPTDRD2TP53TSHRLMNA

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
EP-0595144-A1 Cyclohexyl alkenoates as components of liquid crystalline mixtures F. HOFFMANN-LA ROCHE AG (CH) 1994-05-04 — — EP disclosed
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