SCHEMBL8940810

SCHEMBL8940810

CC(C)=CCCC(C)=CCCC(C)=CCC#N

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
ALOX15 P16050 3/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.57
CYP3A4 P08684 2/20 0.57
ALDH1A1 P00352 1/20 0.57
UGT1A1 P22309 1/20 0.57
SQLE Q14534 7/20 0.55
KDM4E B2RXH2 1/20 0.52
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47

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
SCHEMBL1105232 1.00 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL4307163 0.98 KMT2A (0.60) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL806716 0.98 KMT2A (0.60) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL28814759 0.86 KMT2A (0.45) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL23458530 0.86 KMT2A (0.52) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL23458529 0.86 KMT2A (0.52) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL10000157 0.83 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL20510124 0.83 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL10000172 0.83 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL10544495 0.83 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4503240-A Process for preparing 8,12-epoxy-13,14,15,16-tetranorlabdane Consortium F/u/ r Elektrochemische Industrie GmbH (DE) 1985-03-05 US claimed
US-12064239-B2 Device and methods for detection and monitoring of tuberculosis TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2024-08-20 US disclosed
CN-116710423-A Method for producing organic compound 奇华顿股份有限公司 2023-09-05 CN disclosed
US-20210282678-A1 DEVICE AND METHODS FOR DETECTION AND MONITORING OF TUBERCULOSIS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2021-09-16 US disclosed
US-5510510-A Inhibitors of farnesyl protein transferase BRISTOL-MEYERS SQUIBB COMPANY (US) 1996-04-23 US disclosed
EP-0107857-B1 PROCESS FOR THE PREPARATION OF 8,12-EPOXY-13,14,15,16-TETRANOR LABDANE Consortium für elektrochemische Industrie GmbH (DE) 1986-12-30 EP disclosed
US-4503240-A Process for preparing 8,12-epoxy-13,14,15,16-tetranorlabdane Consortium F/u/ r Elektrochemische Industrie GmbH (DE) 1985-03-05 US disclosed
US-4503240-A Process for preparing 8,12-epoxy-13,14,15,16-tetranorlabdane Consortium F/u/ r Elektrochemische Industrie GmbH (DE) 1985-03-05 US disclosed
EP-0107857-A1 Process for the preparation of 8,12-epoxy-13,14,15,16-tetranor labdane Consortium für elektrochemische Industrie GmbH (DE) 1984-05-09 EP disclosed