SCHEMBL7561201

SCHEMBL7561201

C=C(CCC=C(C)C)C(=O)OCCCl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.34
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33

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
SCHEMBL8100804 0.94 ALDH1A1 (0.47) ALOX15ALDH1A1KDM4EATMKMT2A
SCHEMBL7586188 0.94 ALDH1A1 (0.47) ALOX15ALDH1A1KDM4EATMKMT2A
SCHEMBL7562722 0.94 ALDH1A1 (0.47) ALOX15ALDH1A1KDM4EATMKMT2A
SCHEMBL8100643 0.94 ALDH1A1 (0.47) ALOX15ALDH1A1KDM4EATMKMT2A
SCHEMBL7561321 0.85 ALOX15 (0.42) ALOX15ALDH1A1TSHRKDM4EATM
SCHEMBL7561749 0.81 CYP2D6 (0.47) ALOX15ALDH1A1TSHRKDM4EATM
SCHEMBL7561935 0.81 CHRM2 (0.41) ALOX15ALDH1A1TSHRKDM4EATM
SCHEMBL8066008 0.80 SQLE (0.50) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL8100655 0.80 SQLE (0.50) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL8068621 0.80 SQLE (0.50) ALOX15ALDH1A1KMT2AFNTAFNTB

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 2 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
EP-1013652-A2 Process for preparation of substituted chromanderivatives BASF AKTIENGESELLSCHAFT (DE) 2000-06-28 EP disclosed