SCHEMBL9278652

SCHEMBL9278652

CCCCCC(Cl)C(Cl)=C(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
OPRM1 P35372 1/20 0.37
FDPS P14324 4/20 0.37
GPR84 Q9NQS5 4/20 0.35
CA1 P00915 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
LAP3 P28838 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34

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
SCHEMBL3685575 0.98 LMNA (0.43) LMNAFDPSGPR84SPHK1FFAR1
SCHEMBL16969733 0.84 GPR84 (0.39) LMNAOPRM1FDPSGPR84FFAR1
SCHEMBL11317313 0.84 LMNA (0.38) LMNAOPRM1FDPSGPR84CA1
SCHEMBL16969735 0.84 GPR84 (0.39) LMNAOPRM1FDPSGPR84FFAR1
SCHEMBL11119772 0.82 TSHR (0.52) LMNAALDH1A1TSHRMAPT
SCHEMBL22444499 0.82 TSHR (0.32) TSHR
SCHEMBL16969978 0.82 GPR84 (0.42) LMNAFDPSGPR84SPHK1FFAR1
SCHEMBL16970382 0.82 GPR84 (0.42) LMNAFDPSGPR84SPHK1FFAR1
SCHEMBL16970383 0.82 GPR84 (0.42) LMNAFDPSGPR84SPHK1FFAR1
SCHEMBL960906 0.80 LMNA (0.42) LMNAOPRM1FDPSGPR84CA1

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-0444274-B1 Process for the preparation of phenolic resins BAYER AG (DE) 1995-05-03 EP claimed
US-5314986-A Reuse of by-products from chlorination of butadiene and production of bisphenol A BAYER AKTIENGESELLSCHAFT (DE) 1994-05-24 US disclosed
US-5219976-A PROCESS FOR THE PREPARATION OF PHENOL RESINS USING BY-PRODUCTS OF THE CHLORINATION OF BUTADIENE AS REACTANTS BAYER AKTIENGESELLSCHAFT (DE) 1993-06-15 US disclosed
US-5214100-A Friedel-crafts alkylation of phenol with chloroprene manufacture by-products BAYER AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
US-5071943-A Reacting phenol with the by-products of chlorination of butadiene to recover tetrachlorobutane/1,2,3,4-/ BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed