SCHEMBL2852140

SCHEMBL2852140

CC(N)(c1ccccc1P(C(C)(C)C)C(C)(C)C)c1ccccc1P(C(C)(C)C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A2 P23975 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL16694099 0.82 ALDH1A1 (0.50) ALDH1A1TSHRTDP1
SCHEMBL29590037 0.82 ALDH1A1 (0.50) ALDH1A1TSHRTDP1
SCHEMBL2856673 0.80 ALDH1A1 (0.33) ALDH1A1TSHRTDP1SLC6A2TAAR1
SCHEMBL17182996 0.78 HSD11B1 (0.40) ALDH1A1TSHRTDP1
SCHEMBL30480018 0.78 MAPK1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL1315082 0.78 MAPK1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL27890919 0.75 ALDH1A1 (0.34) ALDH1A1TSHRTDP1
SCHEMBL2850053 0.75 TDP1 (0.42) ALDH1A1TSHRTDP1SLC6A2TAAR1
SCHEMBL2849600 0.75 SLC6A2 (0.33) ALDH1A1TSHRTDP1SLC6A2TAAR1
SCHEMBL2854576 0.75 SLC6A2 (0.33) ALDH1A1TSHRTDP1SLC6A2TAAR1

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
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US claimed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US claimed
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US disclosed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US disclosed