SCHEMBL21444795

SCHEMBL21444795

COC(=O)[C@H](CC1=CCCC=C1)NC=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
POLB P06746 1/20 0.30
GFER P55789 1/20 0.30
GAA P10253 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL23869542 0.72
SCHEMBL11695825 0.70 POLB (0.41) POLB
SCHEMBL3499885 0.69 ATM (0.58) TSHRCYP2C9CYP2C19POLBALDH1A1
SCHEMBL1274700 0.69 ATM (0.58) TSHRCYP2C9CYP2C19POLBALDH1A1
SCHEMBL27925079 0.69 ATM (0.58) TSHRCYP2C9CYP2C19POLBALDH1A1
SCHEMBL765300 0.68 ATM (0.54) TSHRCYP2C9CYP2C19POLBALDH1A1
SCHEMBL22804064 0.68 ESR1 (0.56) TSHRALDH1A1
SCHEMBL10587222 0.68 ESR1 (0.56) TSHRALDH1A1
SCHEMBL29057553 0.68 ESR1 (0.56) TSHRALDH1A1
SCHEMBL10793379 0.68 FOLH1 (0.43) TSHRPOLB

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
EP-3134125-B1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PF MEDICAMENT (FR) 2019-10-09 EP disclosed