SCHEMBL29629259

SCHEMBL29629259

COc1ccc(C(=O)/C=C(\C)c2ccc(OC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C19 P33261 1/20 0.67
MAPT P10636 7/20 0.58
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
F3 P13726 1/20 0.56
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
PARP1 P09874 1/20 0.52
PARP10 Q53GL7 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
NQO2 P16083 2/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL24554810 0.93 MAOB (0.60) CYP1A2CYP3A4CYP2C19MAPTRAB9A
SCHEMBL24554788 0.92 MAPT (0.68) CYP1A2CYP3A4CYP2C19MAPTRAB9A
SCHEMBL5697774 0.90 NQO2 (0.58) CYP1A2CYP3A4CYP2C19MAPTRAB9A
SCHEMBL5697778 0.90 NQO2 (0.58) CYP1A2CYP3A4CYP2C19MAPTRAB9A
SCHEMBL5697775 0.90 NQO2 (0.58) CYP1A2CYP3A4CYP2C19MAPTRAB9A
SCHEMBL24554816 0.89 RAB9A (0.56) CYP1A2CYP3A4CYP2C19MAPTRAB9A
SCHEMBL8843947 0.86 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C19MAPTRAB9A
SCHEMBL6655424 0.85 CA1 (0.59) CYP1A2CYP3A4CYP2C19MAPTCES2
SCHEMBL6655419 0.85 CA1 (0.59) CYP1A2CYP3A4CYP2C19MAPTCES2
SCHEMBL6655426 0.85 CA1 (0.59) CYP1A2CYP3A4CYP2C19MAPTCES2

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-3959189-B1 METHOD OF DEPOLYMERISING PHENOLIC POLYMERS UNIV STELLENBOSCH (ZA) 2026-01-28 EP disclosed
CN-114426564-B Chiral ferrocene phosphine-1, 2-diphenyl ethylenediamine ligand and preparation method and application thereof 中国科学院大连化学物理研究所 2023-09-08 CN disclosed
CN-114426564-A Chiral ferrocenyl phosphine-1, 2-diphenyl ethylene diamine ligand and preparation method and application thereof 中国科学院大连化学物理研究所 2022-05-03 CN disclosed