SCHEMBL9715636

SCHEMBL9715636

CCC(C)COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MMP2 P08253 2/20 0.49
MMP3 P08254 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
RAB9A P51151 1/20 0.48
FFAR1 O14842 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
MGLL Q99685 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL11654970 1.00 MAPT (0.50) MAPTALDH1A1MMP2MMP3ADRB2
SCHEMBL13384899 0.96 MMP2 (0.55) MAPTALDH1A1MMP2MMP3ADRB2
SCHEMBL13384909 0.96 MMP2 (0.55) MAPTALDH1A1MMP2MMP3ADRB2
SCHEMBL20931321 0.90 MAPT (0.55) MAPTFFAR1LMNACYP1A2CYP2D6
SCHEMBL11656681 0.89 MGLL (0.49) MAPTALDH1A1MMP2MMP3ADRB2
SCHEMBL3275041 0.87 MMP2 (0.54) MAPTALDH1A1MMP2MMP3ADRB2
SCHEMBL3275036 0.87 MMP2 (0.54) MAPTALDH1A1MMP2MMP3ADRB2
SCHEMBL11599173 0.87 RAB9A (0.49) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL11502430 0.87 RAB9A (0.49) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL18979622 0.85 MMP2 (0.50) MAPTALDH1A1MMP2MMP3RAB9A

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
JP-52087138-A None JP disclosed
EP-0345357-B1 LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1992-12-23 EP disclosed
US-5085799-A Mixtures of cyanobiphenyls CHISSO CORPORATION (JP) 1992-02-04 US disclosed
EP-0345357-A1 LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1989-12-13 EP disclosed
JP-S5287138-A OPTICALLY ACTIVE ESTER CHISSO CORP 1977-07-20 JP disclosed