SCHEMBL9629674

SCHEMBL9629674

CCCN(C)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
KDM4E B2RXH2 1/20 0.71
POLB P06746 1/20 0.71
GAA P10253 1/20 0.71
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
CDC25B P30305 3/20 0.41
CDC25A P30304 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MCL1 Q07820 4/20 0.40
BCL2L1 Q07817 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL11119496 0.92 ALDH1A1 (0.80) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL11078373 0.91 ALDH1A1 (0.74) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL11087979 0.90 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL9618590 0.89 KMT2A (0.78) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL264702 0.88 ALDH1A1 (0.85) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL9540546 0.86 KMT2A (0.62) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL10780555 0.86 KMT2A (0.85) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL1514371 0.84 MEN1 (0.59) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL10933445 0.84 ALDH1A1 (0.95) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL6205557 0.83 KMT2A (0.72) ALDH1A1KDM4EPOLBGAAKMT2A

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
JP-62161750-A None JP disclosed
US-5166350-A Process for the manufacture of fluoran compounds CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed
JP-S62161750-A BENZOIC ACID DERIVATIVE SHIN NISSO KAKO CO LTD 1987-07-17 JP disclosed
US-4642357-A FLUORAN DERIVATIVES SHIN NISSO KAKO CP., LTD. (JP) 1987-02-10 US disclosed
US-4590498-A HEAT AND PRESSURE SENESITIVE ELEMENTS; HIGH SPEED; FLORAN DYES; INTENSITY SHIN NISSO KAKO CO., LTD. (JP) 1986-05-20 US disclosed