SCHEMBL7560079

SCHEMBL7560079

C=C(CO)CCC=C(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
UGT1A1 P22309 1/20 0.48
SQLE Q14534 6/20 0.47
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
ICMT O60725 1/20 0.38

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
SCHEMBL7562570 0.91 KMT2A (0.64) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL7589662 0.91 KMT2A (0.64) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL7589665 0.91 KMT2A (0.64) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL7562565 0.91 KMT2A (0.64) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL11295324 0.83 SQLE (0.56) TSHRKMT2AMEN1CYP3A4ALOX15
SCHEMBL15709505 0.80 TSHR (0.54) TSHRKMT2AMEN1CYP3A4ALOX15
SCHEMBL15902956 0.79 SQLE (0.59) TSHRKMT2AMEN1CYP3A4ALOX15
SCHEMBL9579346 0.78 TSHR (0.52) TSHRKMT2AMEN1CYP3A4ALOX15
SCHEMBL1191493 0.78 TSHR (0.52) TSHRKMT2AMEN1CYP3A4ALOX15
SCHEMBL20633519 0.76 TSHR (0.50) TSHRKMT2AMEN1CYP3A4ALOX15

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-1013652-B1 Process for preparation of substituted chromanderivatives BASF AG (DE) 2002-08-14 EP disclosed
US-6136986-A REACTING SUBSTITUTED ACROLEIN COMPOUND WITH ACRYLATES, ACROLEINS, ACROLEIN ACETALS, ALLYL ALCOHOLS OR ALLYL ETHERS TO GIVE 3,4-DIHYDRO-2H-PYRANS, REACTING WITH ACID, FOLLOWED BY REACTING WITH SUBSTITUETED VINYL KETONE, DEHYDROGENATION BASF AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed
EP-1013652-A2 Process for preparation of substituted chromanderivatives BASF AKTIENGESELLSCHAFT (DE) 2000-06-28 EP disclosed
US-5231232-A Method of preparing C-18 ketones used in the manufacture of Vitamins E and K LOYOLA UNIVERSITY OF CHICAGO (US) 1993-07-27 US disclosed