SCHEMBL11432002

SCHEMBL11432002

COc1cc(N2CCCC2)ccc1C(=O)c1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.55
CDC25B P30305 1/20 0.52
MAPT P10636 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
AHR P35869 1/20 0.50
GFER P55789 1/20 0.50
ALDH1A1 P00352 5/20 0.49
IP6K1 Q92551 1/20 0.48
SLC16A3 O15427 2/20 0.47
SLC16A1 P53985 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 3/20 0.46
HTT P42858 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TP53 P04637 2/20 0.46
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL11437965 0.99 HIF1A (0.56) HIF1ACDC25BMAPTNPC1RAB9A
SCHEMBL11314484 0.86 LMNA (0.52) HIF1AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3125880 0.81 PRKDC (0.58) CDC25BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10995462 0.80 PRKDC (0.56) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7166496 0.80 PRKDC (0.56) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20976848 0.78 HIF1A (0.60) HIF1AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20976844 0.78 HIF1A (0.63) HIF1AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20735478 0.77 SIRT6 (0.57) HIF1AMAPTNPC1RAB9AALDH1A1
SCHEMBL16055881 0.77 HIF1A (0.60) HIF1AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27183151 0.76 NPC1 (0.62) HIF1ACDC25BMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4220357-A PRESSURE SENSITIVE OR HEAT SENSITIVE SYSTEMS STERLING DRUG INC. (US) 1980-09-02 US disclosed
US-4209618-A COLOR PRECURSORS IN PRESSURE-SENSITIVE DUPLICATING SYSTEMS AND HEAT-SENSITIVE MARKING SYSTEMS STERLING DRUG INC. (US) 1980-06-24 US disclosed
US-4096176-A Benzoylbenzoic acids STERLING DRUG INC. (US) 1978-06-20 US disclosed
US-4094877-A SUBSTITUTED 3,3-DIPHENYLPHTHALIDES AS COLOR PRECURSORS STERLING DRUG INC. (US) 1978-06-13 US disclosed
US-4032527-A COLOR PRECURSORS STERLING DRUG INC. (US) 1977-06-28 US disclosed