SCHEMBL21765401

SCHEMBL21765401

CCCCC(F)C(C)CC(C)CC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
DNM1 Q05193 2/20 0.32
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31
CA1 P00915 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
SCHEMBL19791904 0.80
SCHEMBL14724919 0.80 ALDH1A1 (0.39) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL25967467 0.76 OPRM1 (0.39) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL4276990 0.75 ALDH1A1 (0.39) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL29227252 0.74 OPRM1 (0.42) ALDH1A1TDP1TSHRCYP3A4DNM1
SCHEMBL32675976 0.73 ALDH1A1 (0.48) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL4652951 0.73 ALDH1A1 (0.48) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL22756700 0.73 OPRM1 (0.46) TSHRDNM1OPRM1CA1
SCHEMBL12841152 0.73 ALDH1A1 (0.37) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL5181412 0.73 ALDH1A1 (0.37) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020041301-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed