SCHEMBL31185805

SCHEMBL31185805

CCCCC=Cc1cc(OC)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.58
▸ CYP1A1 P04798 6/20 0.57
▸ CYP1B1 Q16678 6/20 0.57
▸ ESR1 P03372 4/20 0.49
▸ NQO2 P16083 5/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ ABL1 P00519 3/20 0.48
▸ BCR P11274 3/20 0.48
▸ TTR P02766 3/20 0.48
▸ ABCB1 P08183 2/20 0.48
▸ ALOX5 P09917 2/20 0.48
▸ CYP19A1 P11511 2/20 0.48
▸ PTGS2 P35354 2/20 0.48
▸ TUBB4A P04350 1/20 0.48
▸ TUBB P07437 1/20 0.48
▸ TUBA3C P0DPH7 1/20 0.48
▸ TUBA1B P68363 1/20 0.48
▸ TUBA4A P68366 1/20 0.48
▸ TUBB4B P68371 1/20 0.48
▸ TUBB3 Q13509 1/20 0.48

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
SCHEMBL10296739 0.95 AHR (0.57) AHRCYP1A1CYP1B1ESR1NQO2
SCHEMBL10296710 0.85 AHR (0.48) AHRCYP1A1CYP1B1ESR1NQO2
SCHEMBL10296724 0.85 AHR (0.48) AHRCYP1A1CYP1B1ESR1NQO2
SCHEMBL28122484 0.82 CYP1A1 (0.53) AHRCYP1A1CYP1B1ESR1NQO2
SCHEMBL6269670 0.82 AHR (0.51) AHRCYP1A1CYP1B1ESR1NQO2
SCHEMBL3247170 0.81 AHR (0.54) AHRCYP1A1CYP1B1ESR1NQO2
SCHEMBL3247166 0.81 AHR (0.54) AHRCYP1A1CYP1B1ESR1NQO2
SCHEMBL256043 0.80 CYP1A1 (0.67) AHRCYP1A1CYP1B1ESR1NQO2
SCHEMBL15287783 0.80 CYP1A1 (0.67) AHRCYP1A1CYP1B1ESR1NQO2
SCHEMBL14416281 0.80 CYP1A1 (0.67) AHRCYP1A1CYP1B1ESR1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4714444-A1 PREPARATION FOR AND USE OF CANNABIDIOL DERIVATIVE DRUGS Changchun Institute Of Applied Chemistry Chinese Academy Of Sciences (CN) 2026-03-25 — — EP disclosed
WO-2024239921-A1 PREPARATION FOR AND USE OF CANNABIDIOL DERIVATIVE DRUGS 中国科学院长春应用化学研究所 2024-11-28 — — WO disclosed
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