SCHEMBL8907104

SCHEMBL8907104

COC(=O)c1cccc2cc(C(C)(C)C)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK14 Q16539 3/20 0.43
STING1 Q86WV6 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA5A P35218 2/20 0.42
CA9 Q16790 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ATM Q13315 1/20 0.40
RAF1 P04049 1/20 0.40
ERAP1 Q9NZ08 1/20 0.39

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
SCHEMBL8907296 0.83 MAOA (0.46) ALDH1A1HPGDNPC1RAB9ALMNA
SCHEMBL17710702 0.82 LMNA (0.45) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL9550392 0.80 ERAP1 (0.35) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL3965575 0.80 CRBN (0.48) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL28190109 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL10439641 0.78 MAOA (0.51) ALDH1A1HPGDNPC1RAB9APOLB
SCHEMBL14396785 0.78 KDM4E (0.43) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL4176810 0.78 PTGER1 (0.44) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL17711004 0.78 LMNA (0.49) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL14397250 0.78 KDM4E (0.46) ALDH1A1KDM4EHPGDNPC1RAB9A

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
US-5658587-A TRANSDERMAL PATCH FLORA INC. (US) 1997-08-19 US disclosed
WO-1997014419-A1 TRANSDERMAL DELIVERY OF ALPHA ADRENOCEPTOR BLOCKING AGENTS FLORA INC. (US) 1997-04-24 WO disclosed