SCHEMBL9799545

SCHEMBL9799545

CCC(OC(C)=O)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 3/20 0.49
MEN1 O00255 2/20 0.47
MAPK9 P45984 1/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
EDNRA P25101 1/20 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
SCHEMBL27699145 0.81 KMT2A (0.51) KMT2AALDH1A1CYP3A4MEN1MAPK9
SCHEMBL11083633 0.80 KMT2A (0.50) KMT2AALDH1A1CYP3A4MEN1MAPK9
SCHEMBL6721230 0.76 KMT2A (0.50) KMT2ACYP3A4MEN1HPGDCYP1A2
SCHEMBL7835310 0.76 AKR1C3 (0.66) KMT2AALDH1A1MEN1MAPK9CYP1A2
SCHEMBL14537417 0.76 AKR1C3 (0.66) KMT2AALDH1A1MEN1MAPK9CYP1A2
SCHEMBL31062585 0.76 AKR1C3 (0.66) KMT2AALDH1A1MEN1MAPK9CYP1A2
SCHEMBL3342179 0.75 KMT2A (0.46) KMT2AALDH1A1CYP3A4MEN1MAPK9
SCHEMBL6138702 0.75 RAB9A (0.56) KMT2AALDH1A1CYP3A4MEN1HPGD
SCHEMBL5490219 0.74 AOC3 (0.54) KMT2ALMNACYP3A4MEN1MAPK9
SCHEMBL11871569 0.74 CYP1A2 (0.46) KMT2AALDH1A1CYP3A4MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196533-B1 COAGULANT FOR SEPARATING SERUM OR PLASMA FROM WHOLE BLOOD FOR USE IN BLOOD EXAMINATION PROCEDURES Nippon Paint Co., Ltd. (JP) 1991-02-27 EP disclosed
US-4836987-A INTERIOR COATING OF LIGNAN DERIVATIVE NIPPON PAINT CO., LTD. (JP) 1989-06-06 US disclosed
US-4803153-A COAGULATION USING LIGNAN DERIVATIVES NIPPON PAINT CO., LTD. (JP) 1989-02-07 US disclosed
EP-0196533-A1 Coagulant for separating serum or plasma from whole blood for use in blood examination procedures Nippon Paint Co., Ltd. (JP) 1986-10-08 EP disclosed