SCHEMBL7440218

SCHEMBL7440218

CS(=O)(=O)c1ccc2c(c1)OCC(C(O)CN)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CA2 P00918 6/20 0.37
CA1 P00915 4/20 0.37
CA4 P22748 3/20 0.37
DPP4 P27487 3/20 0.37
CA5A P35218 3/20 0.37
CA9 Q16790 3/20 0.37
CA5B Q9Y2D0 3/20 0.37
ADRA1A P35348 1/20 0.37
DAO P14920 1/20 0.37
PTGS2 P35354 4/20 0.37
HCRTR2 O43614 1/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7435505 0.84 PNMT (0.36) ALDH1A1CA2CA1CA4DPP4
SCHEMBL7445352 0.80 CA2 (0.40) FFAR1ALDH1A1CA2MAPTHSD17B10
SCHEMBL10994694 0.80 AKR1B1 (0.36) FFAR1AKR1B1ALDH1A1CA2CA1
SCHEMBL7442226 0.78 FFAR1 (0.35) FFAR1AKR1B1ALDH1A1ADRA1ADAO
SCHEMBL7438907 0.78 CA2 (0.46) FFAR1ALDH1A1CA2CA1MAPT
SCHEMBL7436205 0.78 CA2 (0.46) FFAR1AKR1B1CA2MAPTLMNA
SCHEMBL7436013 0.78 LMNA (0.33) ALDH1A1MAPTHSD17B10LMNASMN1; SMN2
SCHEMBL7436820 0.77 LMNA (0.45) FFAR1ALDH1A1ADRA1AMAPTUSP2
SCHEMBL7432523 0.77 KMT2A (0.35) ALDH1A1ADRA1AHCRTR2MAPTHSD17B10
SCHEMBL7439944 0.76 KDM4E (0.35) ALDH1A1CA2MAPTHSD17B10LMNA

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed