SCHEMBL18174884

SCHEMBL18174884

CCCC[C@H](C)c1cccc2c1oc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NQO1 P15559 1/20 0.37
▸ ALOX5 P09917 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL11996610 0.91 NQO1 (0.41) NPC1RAB9AALDH1A1ALOX15TSHR
SCHEMBL2510823 0.85 NQO1 (0.37) NPC1RAB9AALDH1A1NQO1CYP1A2
SCHEMBL25791928 0.84 TSHR (0.46) NPC1RAB9AALDH1A1ALOX15TSHR
SCHEMBL18174894 0.84 NQO1 (0.38) NPC1RAB9ANQO1CYP1A2CYP3A4
SCHEMBL1102400 0.77 ALOX5 (0.42) NPC1RAB9AALDH1A1ALOX15TSHR
SCHEMBL24906570 0.76 PTPN1 (0.43) NPC1RAB9AALDH1A1ALOX15CYP1A2
SCHEMBL6685019 0.75 TSHR (0.45) ALDH1A1TSHRCYP3A4SMN1; SMN2
SCHEMBL21076074 0.74 ALOX5 (0.41) NPC1RAB9AALDH1A1ALOX15TSHR
SCHEMBL24056537 0.74 ALOX5 (0.41) NPC1RAB9AALDH1A1ALOX15TSHR
SCHEMBL2125548 0.74 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9478758-B1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-10-25 — — US disclosed
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