SCHEMBL9558271

SCHEMBL9558271

CCOc1ccc(C(C)(C)CCCc2cccc(Oc3ccc(OC)cc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FDFT1 P37268 2/20 0.42
LTA4H P09960 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
ABCB1 P08183 1/20 0.38
MAOB P27338 2/20 0.38

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
SCHEMBL10544042 0.95 LTA4H (0.46) FDFT1LTA4HNPC1POLBCYP2C9
SCHEMBL7518059 0.93 LTA4H (0.51) KDM4EALDH1A1FDFT1LTA4HNPC1
SCHEMBL10549055 0.93 SMN1; SMN2 (0.49) KDM4EALDH1A1HTTSMN1; SMN2FDFT1
SCHEMBL9558395 0.90 KDM4E (0.53) KDM4EALDH1A1HTTSMN1; SMN2FDFT1
SCHEMBL10547241 0.90 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2FDFT1LTA4H
SCHEMBL10547034 0.90 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2FDFT1LTA4H
SCHEMBL10549104 0.90 FDFT1 (0.41) FDFT1LTA4HNPC1POLBCYP2C9
SCHEMBL9558315 0.90 FDFT1 (0.43) KDM4ESMN1; SMN2FDFT1LTA4HNPC1
SCHEMBL10544640 0.88 MMP13 (0.47) KDM4EALDH1A1HTTSMN1; SMN2FDFT1
SCHEMBL9558454 0.88 KDM4E (0.53) KDM4EALDH1A1HTTSMN1; SMN2FDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257415-B1 INSECTICIDAL RESIN COATING FILM MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
US-4997650-A (Meth)acrylonitrile polymer MITSUI TOATSU CHEMICALS, INC. (JP) 1991-03-05 US disclosed
US-4818525-A LONG-LASTING; ACRYLONITRILE COPOLYMER MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-04 US disclosed
EP-0257415-A1 Insecticidal resin coating film MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-02 EP disclosed