SCHEMBL22268641

SCHEMBL22268641

OC1=C(Cc2ccccc2)C(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
IDH1 O75874 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
FUCA1 P04066 2/20 0.33

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
SCHEMBL18890767 0.66 CALM1 (0.38) CALM1BCL2BCL2L1IDH1MEN1
SCHEMBL31503053 0.66 CALM1 (0.38) CALM1MEN1KMT2AHPGDUSP2
Diphenylmethane SCHEMBL10394702 0.64 CALM1 (0.92) CALM1BCL2BCL2L1IDH1ALDH1A1
Diphenylmethane SCHEMBL7400899 0.63 CALM1 (0.57) CALM1BCL2BCL2L1IDH1
SCHEMBL1829354 0.62 CALM1 (0.55) CALM1BCL2BCL2L1HPGDUSP2
SCHEMBL2045801 0.62 CALM1 (0.55) CALM1IDH1
SCHEMBL7752320 0.62 IDH1 (0.42) CALM1BCL2BCL2L1IDH1ALOX5
Diphenylmethane SCHEMBL4361124 0.61 CALM1 (1.00) CALM1BCL2BCL2L1IDH1HPGD
Diphenylmethane SCHEMBL14763944 0.61 CALM1 (1.00) CALM1BCL2BCL2L1IDH1HPGD
Diphenylmethane SCHEMBL3792579 0.61 CALM1 (1.00) CALM1BCL2BCL2L1IDH1HPGD

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-3038612-B1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-29 EP disclosed