SCHEMBL9621041

SCHEMBL9621041

CCCc1ccc(C(C)c2ccc(CCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.46
LIPG Q9Y5X9 2/20 0.46
ACACB O00763 2/20 0.45
ESR1 P03372 1/20 0.44
PDCD1 Q15116 1/20 0.44
ESR2 Q92731 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
CA2 P00918 1/20 0.43
KMT2A Q03164 1/20 0.41
ACACA Q13085 1/20 0.41
MGLL Q99685 1/20 0.41
PLK1 P53350 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6546083 0.91 HTR2A (0.50) LPLLIPGACACBCA2SIGMAR1
SCHEMBL6547850 0.91 CYP1A2 (0.45) LPLLIPGACACBESR1PDCD1
SCHEMBL8771392 0.89 GFER (0.50) LPLLIPGACACBCA2ALDH1A1
SCHEMBL28365364 0.89 ESR1 (0.64) ESR1PDCD1ESR2CD274CA2
SCHEMBL9621454 0.86 CA2 (0.50) LPLLIPGESR1CA2PLK1
SCHEMBL597719 0.85 IDO1 (0.50) LPLLIPGACACBCA2KMT2A
SCHEMBL2491588 0.82 LPL (0.48) LPLLIPGACACBCA2KMT2A
SCHEMBL7043601 0.81 ADRB2 (0.48) LPLLIPGACACBCA2KMT2A
SCHEMBL20036657 0.81 LPL (0.43) LPLLIPGACACBESR1ESR2
SCHEMBL9774407 0.81 LPL (0.43) LPLLIPGACACBESR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316014-B1 METHOD FOR PRODUCING ARYLETHYLENES NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-04-01 EP disclosed
US-4855519-A Method for producing arylethylene NIPPON PETROCHEMICALS COMPANY (JP) 1989-08-08 US disclosed
EP-0316014-A2 Method for producing arylethylenes NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-05-17 EP disclosed