SCHEMBL9814589

SCHEMBL9814589

CC(c1ccc(OCC2(C)CO2)cc1)c1ccc(OCC2(C)CO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 1/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ ACACB O00763 5/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FKBP1A P62942 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10022959 0.82 PSMB1 (0.40) PSMB1PSMB5ACACBCYP1A2CYP3A4
SCHEMBL2836200 0.82 ALDH1A1 (0.36) ACACBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4461068 0.82 DRD2 (0.40) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL2312518 0.79 DRD2 (0.40) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL1227914 0.79 APP (0.42) ACACBRXRARXRB
SCHEMBL9774630 0.79 PLA2G7 (0.40) CYP1A2CYP2C19FKBP1ATDP1ALDH1A1
SCHEMBL19091769 0.78 KCNA3 (0.41) TDP1ALDH1A1
SCHEMBL667989 0.78 KCNA3 (0.41) TDP1ALDH1A1
SCHEMBL12902148 0.77 LTA4H (0.46) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL6621380 0.76 ALDH1A1 (0.45) ALDH1A1

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-0224391-B1 EPOXY RESIN COMPOSITIONS MITSUI SEKIYU KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-09-04 — — EP disclosed
US-4929708-A MOLDING MATERIALS, IMPACT STRENGTH, HEAT RESISTANCE MITSUI SEKIYU KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-05-29 — — US disclosed
EP-0224391-A1 Epoxy resin compositions MITSUI SEKIYU KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-06-03 — — EP disclosed
Send feedback