SCHEMBL8489133

SCHEMBL8489133

CCOC(=O)C1CSCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
TLR4 O00206 1/20 0.40
RAB9A P51151 2/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.33

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
SCHEMBL1846269 0.85 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4947382 0.84 MAPT (0.34) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL172419 0.83 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2904103 0.81 KMT2A (0.36) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL1134463 0.77 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL29258046 0.76 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL15236783 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL321283 0.74 TLR4 (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL12606807 0.74 TLR4 (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9793537 0.73 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968908-A Restricted 9-cis retinoids AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
US-5064826-A Analgesic, antiderpressant EGIS GYOGYSZERGYAR (HU) 1991-11-12 US disclosed
US-3972880-A TRANQUILIZER SHARPS ASSOCIATES (US) 1976-08-03 US disclosed
US-3960871-A ANTIDEPRESSANT, ANALGESICS, ANTICONVULSANT ANTI-ANXIETY ACTIVITY SHARPS ASSOCIATES (US) 1976-06-01 US disclosed
US-3940421-A Intermediates for the preparation of thienobenzopyrans and thiopyranobenzopyrans ARTHUR D. LITTLE, INC. (US) 1976-02-24 US disclosed