SCHEMBL4459729

SCHEMBL4459729

CC(c1ccccc1)C(OP(O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
ALOX15 P16050 2/20 0.35
ADRA2C P18825 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ADRA2A P08913 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP2D6 P10635 3/20 0.34
CYP1A2 P05177 1/20 0.34
KCNN4 O15554 2/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA1A P35348 1/20 0.32
RGS12 O14924 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4459726 0.85 MAPK1 (0.35) ALDH1A1ALOX15ADRA2CKDM4EADRA2A
SCHEMBL9494144 0.82 CYP2D6 (0.41) ALDH1A1ALOX15HIF1ACYP2D6CYP1A2
SCHEMBL4452178 0.80 LMNA (0.39) ALDH1A1LMNACYP1A2KCNN4CYP2C19
SCHEMBL703112 0.77 MAPK1 (0.35) ALDH1A1ALOX15ADRA2CKDM4EADRA2A
SCHEMBL5147521 0.76 CYP1A2 (0.37) ALDH1A1ALOX15ADRA2CKDM4EADRA2A
SCHEMBL5147516 0.76 TAAR1 (0.36) ALDH1A1ALOX15ADRA2CKDM4EADRA2A
SCHEMBL28972220 0.74 SRC (0.40)
SCHEMBL8834479 0.73 MMP2 (0.39) ALDH1A1KMT2A
SCHEMBL4451205 0.73 ALDH1A1 (0.38) ALDH1A1ALOX15ADRA2CKDM4EADRA2A
SCHEMBL9446568 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed
EP-0013382-B1 PROCESS FOR THE PREPARATION OF M-AMINO-PHENOLS BASF Aktiengesellschaft (DE) 1982-12-15 EP disclosed
EP-0013382-A1 Process for the preparation of m-amino-phenols BASF Aktiengesellschaft (DE) 1980-07-23 EP disclosed
US-4067903-A Manufacture of arylamines BASF AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed