SCHEMBL28042427

SCHEMBL28042427

CCCCCOC(CCCCC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
SLC7A5 Q01650 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CASR P41180 1/20 0.39
PTPN1 P18031 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL28042424 0.98 NPC1 (0.43) LTA4HNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28042470 0.98 NPC1 (0.43) LTA4HNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28042428 0.98 NPC1 (0.43) LTA4HNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28042426 0.98 NPC1 (0.43) LTA4HNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28042227 0.98 NPC1 (0.43) LTA4HNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28042429 0.98 NPC1 (0.43) LTA4HNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28042226 0.98 NPC1 (0.43) LTA4HNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28106834 0.98 NPC1 (0.43) LTA4HNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28042230 0.96 SLC7A5 (0.44) LTA4HNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8853289 0.96 LTA4H (0.43) LTA4HNPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106133058-A Polycarbonate resin composition and molded article 出光兴产株式会社 2016-11-16 CN disclosed
CN-105143305-A Polycarbonate resin for liquid crystal member, polycarbonate resin composition for liquid crystal member containing the same, and liquid crystal member IDEMITSU KOSAN CO 2015-12-09 CN disclosed