SCHEMBL8962412

SCHEMBL8962412

CCOc1ccccc1C(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.72
HSD17B10 Q99714 2/20 0.64
CDC25A P30304 1/20 0.64
CDC25B P30305 1/20 0.64
RAB9A P51151 2/20 0.53
CREBBP Q92793 1/20 0.52
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HCRTR1 O43613 2/20 0.49
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
AKR1C3 P42330 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8962222 0.88 CDC25A (0.59) LMNAHSD17B10CDC25ACDC25BALDH1A1
SCHEMBL9651641 0.86 KDM4E (0.59) LMNAHSD17B10CDC25ACDC25BRAB9A
SCHEMBL7395755 0.84 LMNA (1.00) LMNAHSD17B10CDC25ACDC25BRAB9A
SCHEMBL8962196 0.84 CDC25B (0.70) LMNAHSD17B10CDC25ACDC25BRAB9A
SCHEMBL30033997 0.83 RAB9A (0.67) LMNARAB9AALDH1A1MEN1KMT2A
SCHEMBL720460 0.83 RAB9A (0.67) LMNARAB9AALDH1A1MEN1KMT2A
SCHEMBL21887388 0.82 LMNA (0.68) LMNAHSD17B10RAB9ACREBBPKDM4E
Bicarbonate SCHEMBL27740096 0.82 RAB9A (0.65) LMNARAB9AALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8729799 0.82 RAB9A (0.65) LMNARAB9AALDH1A1MEN1KMT2A
SCHEMBL124831 0.81 ALDH1A1 (0.65) LMNAHSD17B10RAB9AALDH1A1KDM4E

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
US-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 EP disclosed