SCHEMBL9273637

SCHEMBL9273637

CCC(C)OP(=O)(O)Cc1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 2/20 0.36
GALR3 O60755 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
FFAR1 O14842 1/20 0.34
MAPT P10636 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
SCHEMBL916315 0.81 TSHR (0.49) TSHRMAPK1GAAKMT2A
SCHEMBL11743893 0.81 ALDH1A1 (0.41) TSHRSMN1; SMN2MAPK1ALDH1A1L3MBTL1
SCHEMBL916701 0.80 KDM4E (0.36) TSHRALDH1A1MAOBLMNA
SCHEMBL2008230 0.79 EPHX2 (0.36) TSHR
SCHEMBL642703 0.79 FDPS (0.42) TSHRALDH1A1
SCHEMBL901668 0.79 ALDH1A1 (0.44) TSHRSMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL3086597 0.79 IDO1 (0.34) TSHRALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL915190 0.77 FOLH1 (0.40) TSHRALDH1A1KMT2ALMNA
SCHEMBL9386757 0.77 SRC (0.39) TSHRSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL4070829 0.76 EPHX2 (0.40) MAPK1ALDH1A1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7300449-A None JP disclosed
JP-H07300449-A PRODUCTION OF STILBENE BASF AG 1995-11-14 JP disclosed
US-4233440-A OPTICAL BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed
US-4013713-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed