SCHEMBL10366171

SCHEMBL10366171

CC(C)Cc1cc(OCc2ccccc2)c2c(c1)OC(C)(C)CC2C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR3 O15455 2/20 0.51
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP19A1 P11511 4/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ PPIA P62937 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ MAOB P27338 2/20 0.36
▸ KCNE1 P15382 1/20 0.36
▸ KCNQ1 P51787 1/20 0.36

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
SCHEMBL10367311 0.84 TLR3 (0.44) TLR3NPC1RAB9AMAPTALDH1A1
SCHEMBL10365146 0.74 HTR2A (0.37) TLR3MAPTALDH1A1MEN1KMT2A
SCHEMBL10482681 0.68 TLR3 (0.39) TLR3MAPTALDH1A1MEN1KMT2A
SCHEMBL10365140 0.68 MAOB (0.54) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL10366315 0.67 HTR2A (0.37) ALDH1A1MEN1KMT2AHTR2A
SCHEMBL10366317 0.67 KDM4E (0.38) ALDH1A1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL7761819 0.65 KMT2A (0.58) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL7328515 0.64 TDP1 (0.50) NPC1RAB9AALDH1A1HTR2A
SCHEMBL6937137 0.64 KCNE1 (0.55) TLR3NPC1RAB9AMAPTALDH1A1
SCHEMBL7338569 0.64 TDP1 (0.50) NPC1RAB9AALDH1A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0089781-B1 BICYCLIC BENZO FUSED COMPOUNDS PFIZER INC. (US) 1990-08-08 — — EP disclosed
US-4870084-A ANALGESICS, ANTIDIARRHEALS PFIZER INC. (US) 1989-09-26 — — US disclosed
US-4863934-A Bicyclic benzo fused pyran compounds used for producing analgesia PFIZER INC. (US) 1989-09-05 — — US disclosed
US-4841078-A ANALGESICS PFIZER INC. (US) 1989-06-20 — — US disclosed
US-4680404-A ANALGESICS, TRANQUILIZERS, ANTIEMETICS, DIURETICS, ANTICONVULSANTS PFIZER INC. (US) 1987-07-14 — — US disclosed
US-4486428-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-12-04 — — US disclosed
EP-0089781-A2 Bicyclic benzo fused compounds PFIZER INC. (US) 1983-09-28 — — EP disclosed
Send feedback