SCHEMBL1461545

SCHEMBL1461545

CC(=O)OC1=CCc2c1ccc1c2ccc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
ADK P55263 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
HPRT1 P00492 1/20 0.38
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL25239580 0.86 ALDH1A1 (0.40) ALDH1A1HPGDMAPTHPRT1CYP1A2
SCHEMBL1461967 0.84 KMT2A (0.41) ALDH1A1HPGDMAPTHPRT1CYP1A2
SCHEMBL19972850 0.80 KMT2A (0.51) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL15903547 0.79 HPRT1 (0.44) ALDH1A1HPGDMAPTHPRT1CYP1A2
SCHEMBL15903864 0.78 NCEH1 (0.39) ALDH1A1HPGDMAPTHPRT1CYP1A2
SCHEMBL16369606 0.78 NPC1 (0.34) HPGDMAPTCYP1A2LMNACYP2D6
SCHEMBL19972848 0.78 L3MBTL1 (0.36) ALDH1A1HPGDMAPTCYP1A2MEN1
SCHEMBL15903797 0.76 HPRT1 (0.41) ALDH1A1HPGDMAPTHPRT1CYP1A2
SCHEMBL19972854 0.76 HSD11B1 (0.37) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL1461844 0.75 HPRT1 (0.50) ALDH1A1HPGDMAPTHPRT1CYP1A2

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
EP-3071207-A1 LIBIDO-ENHANCING THERAPEUTIC AND USE Derivlan Bioscience, LLC (US) 2016-09-28 EP claimed
WO-2015077407-A1 LIBIDO-ENHANCING THERAPEUTIC AND USE DERIVLAN BIOSCIENCE, LLC (US) 2015-05-28 WO claimed
WO-2021097046-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC. (US) 2021-05-20 WO disclosed
WO-2011029639-A2 COMPOUNDS AND METHODS FOR TREATING NEOPLASIA MEDEXIS S.A. (GR) 2011-03-17 WO disclosed