SCHEMBL11739031

SCHEMBL11739031

CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCS1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.41
▸ CNR1 P21554 5/20 0.41
▸ KDR P35968 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ CYP2J2 P51589 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ TRPV2 Q9Y5S1 1/20 0.33

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
Tinabinol SCHEMBL29538185 0.94 CNR2 (0.39) CNR2CNR1KDRTRPA1CYP1A1
Tinabinol SCHEMBL122290 0.94 CNR2 (0.39) CNR2CNR1KDRTRPA1CYP1A1
SCHEMBL11734837 0.90 KDR (0.43) CNR2CNR1KDRTRPA1CYP1A1
SCHEMBL11738815 0.89 KDR (0.44) CNR2CNR1KDRTRPA1CYP1A1
SCHEMBL11791819 0.87 PTPN1 (0.35) CNR2CNR1KDR
SCHEMBL11796295 0.86 CNR2 (0.33) CNR2CNR1
SCHEMBL11787973 0.85 — —
SCHEMBL11799600 0.85 CNR2 (0.37) CNR2CNR1KDRTRPA1CYP1A1
SCHEMBL11791771 0.84 CNR2 (0.45) CNR2CNR1KDR
SCHEMBL31545687 0.84 CNR2 (0.45) CNR2CNR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3987190-A Method of treating hypertension with, and compositions useful therein containing, a 4H-thieno[2,3-c][1]benzopyran or a 3H,5H-thiopyrano[2,3-c][1] SHARPS ASSOCIATES (US) 1976-10-19 — — US claimed
US-4025630-A Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication ABBOTT LABORATORIES (US) 1977-05-24 — — US disclosed
US-3987190-A Method of treating hypertension with, and compositions useful therein containing, a 4H-thieno[2,3-c][1]benzopyran or a 3H,5H-thiopyrano[2,3-c][1] SHARPS ASSOCIATES (US) 1976-10-19 — — US disclosed
US-3987190-A Method of treating hypertension with, and compositions useful therein containing, a 4H-thieno[2,3-c][1]benzopyran or a 3H,5H-thiopyrano[2,3-c][1] SHARPS ASSOCIATES (US) 1976-10-19 — — US disclosed
US-3972880-A TRANQUILIZER SHARPS ASSOCIATES (US) 1976-08-03 — — US disclosed
US-3960871-A ANTIDEPRESSANT, ANALGESICS, ANTICONVULSANT ANTI-ANXIETY ACTIVITY SHARPS ASSOCIATES (US) 1976-06-01 — — US disclosed
US-3946111-A ANALYGESICS SHARPS ASSOCIATES (US) 1976-03-23 — — US disclosed
US-3940421-A Intermediates for the preparation of thienobenzopyrans and thiopyranobenzopyrans ARTHUR D. LITTLE, INC. (US) 1976-02-24 — — US disclosed
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