SCHEMBL9535834

SCHEMBL9535834

C=CCN=C(NCC=C)SC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL11116010 0.82 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2CYP1A2GAA
Iodide SCHEMBL11657801 0.81 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2CYP1A2GAA
Iodide SCHEMBL11657794 0.81 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2CYP1A2GAA
SCHEMBL11061798 0.79 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2CYP1A2GAA
SCHEMBL15413417 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2CYP1A2GAACYP2D6
SCHEMBL15413419 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2CYP1A2GAACYP2D6
SCHEMBL906226 0.74 ALDH1A1 (0.40) ALDH1A1TSHRSMN1; SMN2GAAMAPT
SCHEMBL7759973 0.73 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2GAAMAPT
SCHEMBL11498267 0.72 TSHR (0.39) ALDH1A1TSHRSMN1; SMN2MAPTFAAH
SCHEMBL11673949 0.71 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2

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
EP-0182262-B1 NONA AND DECAPEPTIDE ANALOGS OF LHRH USEFUL AS LHRH ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-01-20 EP disclosed
EP-0182262-A2 Nona and decapeptide analogs of LHRH useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1986-05-28 EP disclosed