SCHEMBL24906570

SCHEMBL24906570

CCCCC(C)c1ccc2c(ccc3c4ccccc4oc23)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.43
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL18174891 0.81 NPC1 (0.42) PTPN1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL22420010 0.76 PTPN1 (0.50) PTPN1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL18174884 0.76 NPC1 (0.38) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL2510823 0.75 NQO1 (0.37) PTPN1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL16807720 0.74 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HSD17B10
SCHEMBL6888083 0.73 UGT2B7 (0.46) NPC1CYP1A2
SCHEMBL13562218 0.73 PTPN1 (0.49) PTPN1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL13562219 0.72 PTPN1 (0.46) PTPN1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL15848807 0.71 PTPN1 (0.45) PTPN1CYP1A2CYP2C19
SCHEMBL15848808 0.71 PTPN1 (0.45) PTPN1CYP1A2CYP2C19

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-20230019712-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2023-01-19 — — US disclosed
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