SCHEMBL3130112

SCHEMBL3130112

c1ccc(-c2cccc(OP(Oc3cccc(-c4ccccc4)c3)Oc3cccc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ SOD1 P00441 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2E1 P05181 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP4B1 P13584 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP3A5 P20815 1/20 0.40
▸ CYP2A7 P20853 1/20 0.40
▸ CYP3A7 P24462 1/20 0.40
▸ CYP2F1 P24903 1/20 0.40
▸ CYP2C18 P33260 1/20 0.40

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
SCHEMBL17807541 0.98 MAOA (0.41) MAOALTA4HBACE1SOD1ALDH1A1
SCHEMBL3124667 0.84 ALDH1A1 (0.43) MAOASOD1ALDH1A1CYP1A1CYP1A2
SCHEMBL1984268 0.83 LTA4H (0.41) LTA4HALDH1A1
SCHEMBL20702317 0.83 ALOX5 (0.43) MAOALTA4HMRGPRX4GGPS1RXRA
SCHEMBL17807563 0.81 ALDH1A1 (0.45) LTA4HALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3124024 0.78 ALDH1A1 (0.47) LTA4HALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL16361075 0.78 LTA4H (0.55) MAOALTA4HALDH1A1CYP1A1CYP1A2
SCHEMBL19159537 0.78 LTA4H (0.41) MAOALTA4HALDH1A1CYP1A2CYP3A4
SCHEMBL11119072 0.78 CYP11B2 (0.49) BACE1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24159348 0.78 CYP3A4 (0.41) CYP3A4GGPS1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010009755-A1 CURABLE SILICONE COMPOSITIONS COMPRISING ARYL-PHOSPHITES MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2010-01-28 — — WO claimed
US-20200299509-A1 SILICONE COMPOSITIONS CROSSLINKABLE BY IRRADIATION WITH UV LIGHT WACKER CHEMIE AG (DE) 2020-09-24 — — US disclosed
EP-3585840-B1 SILICONE COMPOSITIONS THAT CAN BE CROSS-LINKED BY IRRADIATION WITH UV LIGHT WACKER CHEMIE AG (DE) 2020-06-03 — — EP disclosed
WO-2010009755-A1 CURABLE SILICONE COMPOSITIONS COMPRISING ARYL-PHOSPHITES MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2010-01-28 — — WO disclosed
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