SCHEMBL22908217

SCHEMBL22908217

CS(C)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
FAAH O00519 1/20 0.50
ELANE P08246 1/20 0.50
PRTN3 P24158 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
TP53 P04637 1/20 0.48
CALM1 P0DP23 1/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
KMT2A Q03164 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL1343355 0.82 CA1 (0.50) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL14246988 0.79 AKR1B1 (0.46) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL19620709 0.79 CA1 (0.39) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL92893 0.78 CA2 (0.58) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL10791482 0.78 CA1 (0.52) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL17804288 0.78 PRSS1 (0.58) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL22429350 0.78 CA1 (0.46) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL19636161 0.76 CA1 (0.44) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL13990531 0.76 CA1 (0.44) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL3997489 0.75 PRSS1 (0.55) CA1CA2PRSS1PRSS2PRSS3

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-3226897-B1 ANTIBODIES TARGETING B-CELL MATURATION ANTIGEN AND METHODS OF USE MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-01-20 EP disclosed