SCHEMBL14255243

SCHEMBL14255243

C=CC(=O)CCCc1cc(OC)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
POLB P06746 1/20 0.43
MTNR1A P48039 6/20 0.43
ESR1 P03372 1/20 0.43
CYP19A1 P11511 1/20 0.43
ESR2 Q92731 1/20 0.43
MTNR1B P49286 5/20 0.42
HTT P42858 1/20 0.40

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
SCHEMBL11080245 0.82 POLB (0.59) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL18361600 0.78 ALOX5 (0.60) KMT2AALDH1A1HPGDPOLB
SCHEMBL11860231 0.76 HDAC1 (0.61) MTNR1AMTNR1B
SCHEMBL11863210 0.75 CNR1 (0.50) CYP19A1
SCHEMBL14255245 0.75 MTNR1A (0.40) MEN1KMT2AALDH1A1MTNR1AESR1
SCHEMBL4868917 0.74 ESR1 (0.43) MEN1KMT2AALDH1A1MTNR1AESR1
SCHEMBL27715804 0.73 THRB (0.57) MEN1KMT2AALDH1A1HPGD
SCHEMBL21894227 0.73 TAAR1 (0.49) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL12330476 0.73 ESR1 (0.42) MEN1KMT2AALDH1A1MTNR1AESR1
SCHEMBL11870626 0.73 HDAC1 (0.57) MTNR1AMTNR1B

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-7345035-B2 Treatment of osteoporosis and autoimmune disease with astrogorgiadiol UNIVERSITY OF DELAWARE (US) 2008-03-18 US disclosed
US-7345035-B2 Treatment of osteoporosis and autoimmune disease with astrogorgiadiol UNIVERSITY OF DELAWARE (US) 2008-03-18 US disclosed