SCHEMBL13799586

SCHEMBL13799586

Cc1cc(C)c(OP(Oc2ccccc2C(C)C)c2ccccc2)c(-c2cc(C)cc(C)c2OP(Oc2ccccc2C(C)C)c2ccccc2)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2603380 0.90 LMNA (0.39) L3MBTL1LMNAMEN1KMT2AMAPT
SCHEMBL10309813 0.79 TDP1 (0.33) L3MBTL1MAPTALDH1A1TSHRTDP1
SCHEMBL13455451 0.78 ABCB1 (0.32) MEN1KMT2A
SCHEMBL3418221 0.76 CYP1A2 (0.38) L3MBTL1LMNAMEN1CYP1A2CYP3A4
SCHEMBL13385705 0.74 HSD11B1 (0.30)
SCHEMBL13199356 0.74 NPSR1 (0.35) L3MBTL1LMNAMEN1CYP1A2KMT2A
SCHEMBL13199358 0.73 APEX1 (0.32)
SCHEMBL12809508 0.73 IDO1 (0.32) TDP1
SCHEMBL8632032 0.71 GABRA1 (0.40) LMNACYP1A2CYP3A4KMT2ASLC6A2
SCHEMBL13199354 0.71 ALDH1A1 (0.35) ALDH1A1TSHRSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550407-B2 System suitable for the hydrocyanation of olefinically unsaturated compounds BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 US disclosed
US-7550407-B2 System suitable for the hydrocyanation of olefinically unsaturated compounds BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 US disclosed
EP-1610893-B1 SYSTEM SUITABLE FOR THE HYDROCYANATION OF OLEFINICALLY UNSATURATED COMPOUNDS BASF AG (DE) 2007-03-07 EP disclosed