SCHEMBL20044280

SCHEMBL20044280

CCCCCCc1ccc(C2(c3ccc(C)cc3)c3cc(-c4ccc(C=O)s4)ccc3-c3sc4c(c32)C(c2ccc(CCCCCC)cc2)(c2ccc(CCCCCC)cc2)c2cc(-c3ccc(C=O)s3)ccc2-4)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.35
RARB P10826 7/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
PRF1 P14222 2/20 0.33
MGAT2 Q10469 2/20 0.33
KDM4E B2RXH2 1/20 0.32
APP P05067 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RARA P10276 1/20 0.31
MTOR P42345 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20247154 0.91 PGR (0.32) PGRRARBRAB9ANPC1ATM
SCHEMBL21949336 0.90 PGR (0.35) PGRRARBRAB9ANPC1ATM
SCHEMBL20246959 0.90 PGR (0.35) PGRRARBRAB9ANPC1ATM
SCHEMBL20043836 0.88 PGR (0.43) PGRPRF1KDM4EAPPMAPT
SCHEMBL20363808 0.87 PRF1 (0.34) PGRRARBRAB9APRF1KDM4E
SCHEMBL20235832 0.86 PRF1 (0.35) PGRRARBRAB9APRF1KDM4E
SCHEMBL20043746 0.84 PRF1 (0.36) PGRRARBPRF1APPMAPT
SCHEMBL20044318 0.82 PRF1 (0.37) PGRPRF1APPMAPT
SCHEMBL20044395 0.82 PRF1 (0.35) PGRPRF1APP
SCHEMBL20042465 0.82 PRF1 (0.35) PGRPRF1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481834-B1 ORGANIC SEMICONDUCTING COMPOUNDS RAYNERGY TEK INC (TW) 2023-10-18 EP disclosed
WO-2018065352-A1 ORGANIC PHOTODETECTOR MERCK PATENT GMBH (DE) 2018-04-12 WO disclosed
WO-2018065356-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2018-04-12 WO disclosed