SCHEMBL9715725

SCHEMBL9715725

C=C(C=Cc1ccccc1)c1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ EGFR P00533 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ TNKS O95271 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 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
SCHEMBL8268593 0.82 KDM4E (0.56) KDM4ESMN1; SMN2RAB9AEGFRMMP1
SCHEMBL25289436 0.78 NFE2L2 (0.71) KDM4EALDH1A1SMN1; SMN2RAB9AGLA
SCHEMBL10498073 0.78 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2RAB9AEGFR
SCHEMBL29288279 0.78 NFE2L2 (0.71) KDM4EALDH1A1SMN1; SMN2RAB9AGLA
SCHEMBL31026916 0.78 NFE2L2 (0.71) KDM4EALDH1A1SMN1; SMN2RAB9AGLA
SCHEMBL22873179 0.77 MAOA (0.44) KDM4EALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL12655477 0.76 CYP3A4 (0.38) KDM4EALDH1A1SMN1; SMN2RAB9ATDP1
SCHEMBL20751614 0.74 MAOA (0.39) KDM4EALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL23951860 0.74 SMN1; SMN2 (0.53) KDM4ESMN1; SMN2MAPTLMNAPTGS1
SCHEMBL5965069 0.74 MAOA (0.44) ALDH1A1SMN1; SMN2RAB9ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311689-B1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-06-10 — — EP disclosed
EP-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 — — EP disclosed
US-4982007-A CARBONYLATION CATALYST NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-01-01 — — US disclosed
US-4908473-A Reacting a (1-arylethenyl)vinylbenzene with carbon monoxide and water or alcohol in the presence of carbonylation catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-03-13 — — US disclosed
EP-0311689-A1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-04-19 — — EP disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 — — EP disclosed
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