SCHEMBL8979952

SCHEMBL8979952

CCCCCCOCCCCCCNCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.52
CYP2C19 P33261 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 1/20 0.50
KDM1A O60341 3/20 0.46
GLA P06280 1/20 0.46
EPHX1 P07099 2/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
CES2 O00748 1/20 0.42
S1PR2 O95136 3/20 0.39
S1PR4 O95977 3/20 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
SCHEMBL8979931 1.00 TSHR (0.56) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL23518842 0.98 TSHR (0.59) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL29174014 0.95 TSHR (0.56) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL15510973 0.95 TSHR (0.56) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL22848917 0.95 TSHR (0.56) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL4810110 0.95 TSHR (0.56) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL15511106 0.95 TSHR (0.56) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL8979943 0.95 TSHR (0.56) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL15511439 0.93 TSHR (0.59) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL13822544 0.93 CYP2C19 (0.57) TSHRALDH1A1CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576445-B1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SAN MARTINO SPA (IT) 1996-05-15 EP claimed
WO-1992016346-A1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SILVANI ANTINCENDI S.P.A (IT) 1992-10-01 WO claimed
EP-0576445-B1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SAN MARTINO SPA (IT) 1996-05-15 EP disclosed
US-5468422-A Composition for use in washing and cleansing vulcanization molds SILVANI ANTINCEDI (IT) 1995-11-21 US disclosed
EP-0576445-A1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS. SILVANI ANTINCENDI SPA (IT) 1994-01-05 EP disclosed
WO-1992016346-A1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SILVANI ANTINCENDI S.P.A (IT) 1992-10-01 WO disclosed