SCHEMBL8773436

SCHEMBL8773436

C=CCN(C=C(c1ccccc1)c1ccccc1)CC=C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
CCR6 P51684 1/20 0.39
AKT1 P31749 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
ESR1 P03372 1/20 0.35
LSS P48449 2/20 0.35

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
SCHEMBL11111689 0.78 TSHR (0.38) CYP1A2ALDH1A1LMNAHPGDTSHR
SCHEMBL11111693 0.78 TSHR (0.38) CYP1A2ALDH1A1LMNAHPGDTSHR
SCHEMBL9562364 0.75 CES2 (0.41) ALDH1A1LMNAHPGDTSHRALOX12
SCHEMBL9562359 0.75 CES2 (0.41) ALDH1A1LMNAHPGDTSHRALOX12
SCHEMBL12422795 0.75 ALDH1A1 (0.40) ALDH1A1HPGDTSHRSMN1; SMN2MEN1
SCHEMBL12422791 0.73 G6PC1 (0.43) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL12377628 0.73 ALDH1A1 (0.36) CYP1A2ALDH1A1HPGDTSHRAKT1
SCHEMBL28005546 0.72 SIGMAR1 (0.38) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL7717169 0.71 CYP1A2 (0.50) CYP1A2ALDH1A1LMNAHPGDTSHR
SCHEMBL12422812 0.71 SIGMAR1 (0.51) CYP1A2KDM4EMEN1KMT2A

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
EP-0680979-B1 Adhesive based on anionically polymerized styrene/butadiene copolymer BASF AG (DE) 1997-10-22 EP disclosed
US-5585442-A Adhesive based on anionically polymerized styrene/butadiene copolymers BASF AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
EP-0680979-A1 Adhesive based on anionically polymerized styrene/butadiene copolymer BASF AKTIENGESELLSCHAFT (DE) 1995-11-08 EP disclosed