SCHEMBL8967693

SCHEMBL8967693

C#CCOCC(COCCCCCCOCC(COCC#C)OCC1CO1)OCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
LPAR1 Q92633 4/20 0.33
LPAR3 Q9UBY5 4/20 0.33
LPAR2 Q9HBW0 1/20 0.30

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
SCHEMBL9479114 0.98 TSHR (0.46) ALDH1A1TDP1TSHRSMN1; SMN2LPAR1
SCHEMBL11306159 0.81 ALDH1A1 (0.69) ALDH1A1TDP1TSHRSMN1; SMN2LPAR1
SCHEMBL29092149 0.78 ALDH1A1 (0.50) ALDH1A1TDP1TSHRSMN1; SMN2LPAR1
SCHEMBL8967047 0.76 ALDH1A1 (0.39) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL28335337 0.76 TSHR (0.52) ALDH1A1TDP1TSHRSMN1; SMN2LPAR1
SCHEMBL19820320 0.75 SMN1; SMN2 (0.68) ALDH1A1TDP1TSHRSMN1; SMN2LPAR1
SCHEMBL8967592 0.74 TP53 (0.37) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL22198079 0.73
SCHEMBL36444 0.73 ALDH1A1 (0.50) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL22592522 0.73 ALDH1A1 (0.50) ALDH1A1TDP1TSHRSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458296-B1 Modified epoxy resins having acetylenically unsaturated functions NIPPON PAINT CO LTD (JP) 1996-03-06 EP disclosed
US-5242996-A MODIFIED EPOXY RESINS HAVING ACETYLENICALLY UNSATURATED FUNCTIONS NIPPON PAINT CO., LTD. (JP) 1993-09-07 US disclosed
EP-0458296-A2 Modified epoxy resins having acetylenically unsaturated functions NIPPON PAINT CO., LTD. (JP) 1991-11-27 EP disclosed