SCHEMBL8998008

SCHEMBL8998008

CCCCc1c(C)[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.72
POLB P06746 1/20 0.72
ALDH1A1 P00352 5/20 0.69
TSHR P16473 3/20 0.69
HTT P42858 2/20 0.69
HTR6 P50406 1/20 0.65
MAPT P10636 2/20 0.61
CYP3A4 P08684 2/20 0.61
PABPC1 P11940 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 4/20 0.58
HPGD P15428 3/20 0.58
GAA P10253 2/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
RAB9A P51151 1/20 0.54
CYP1A2 P05177 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
AHR P35869 1/20 0.52

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
SCHEMBL4921978 0.95 KDM4E (0.70) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL8444672 0.93 KDM4E (0.68) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL8442541 0.93 KDM4E (0.68) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL8444727 0.93 KDM4E (0.68) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL8445875 0.93 KDM4E (0.68) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL8445695 0.93 KDM4E (0.68) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL8440798 0.93 KDM4E (0.68) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL8441371 0.93 KDM4E (0.68) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL8552151 0.91 ALDH1A1 (0.71) KDM4EPOLBALDH1A1TSHRHTT
SCHEMBL8722151 0.84 KDM4E (0.70) KDM4EPOLBALDH1A1TSHRHTT

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
EP-0486900-B1 Process for the preparation of indoles BAYER AG (DE) 1996-09-04 EP disclosed
US-5179211-A PROCESS FOR THE PREPARATION OF INDOLES BAYER AKTIENGESELLSCHAFT (DE) 1993-01-12 US disclosed
EP-0486900-A2 Process for the preparation of indoles BAYER AG (DE) 1992-05-27 EP disclosed
US-4688059-A 3-ARYL(OR HETEROARYL)-3-(OXY OR THIO)PHTHALIDE AS REAGENT IN CARBONLESS DUPLICATING SYSTEM THE HILTON-DAVIS CHEMICAL CO. (US) 1987-08-18 US disclosed
US-4535172-A FOR CARBONLESS DUPLICATING AND THERMAL MARKING SYSTEMS THE HILTON-DAVIS CHEMICAL CO. (US) 1985-08-13 US disclosed