SCHEMBL30639740

SCHEMBL30639740

CC1(C)OB(c2ccc3oc(=O)n(CS(C)(=O)=O)c3c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MIF P14174 3/20 0.36
CD74 P04233 2/20 0.36
IDO1 P14902 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
CSF1R P07333 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LPL P06858 1/20 0.34

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
SCHEMBL26614648 1.00 CA1 (0.36) CA1CA2CA9CA12CA3
SCHEMBL16475230 0.85 LPL (0.40) MIFCD74IDO1KMT2AMEN1
SCHEMBL30639699 0.85 LPL (0.40) MIFCD74IDO1KMT2AMEN1
SCHEMBL782308 0.82 LPL (0.41) IDO1KMT2AMEN1POLBALDH1A1
SCHEMBL26614779 0.81 CSF1R (0.40) CA1CA2CA9MIFCD74
SCHEMBL30639708 0.81 MIF (0.37) MIFCD74IDO1KMT2AMEN1
SCHEMBL30639689 0.81 KMO (0.42) MIFCD74IDO1KMT2AMEN1
SCHEMBL26614727 0.81 MIF (0.37) MIFCD74IDO1KMT2AMEN1
SCHEMBL30639730 0.81 CSF1R (0.40) CA1CA2CA9MIFCD74
SCHEMBL26614707 0.81 KMO (0.42) MIFCD74IDO1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514788-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2025-03-05 EP disclosed
WO-2023209368-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2023-11-02 WO disclosed