SCHEMBL6452038

SCHEMBL6452038

COCOc1ccccc1C(O)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.37
ABCB1 P08183 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL6453675 0.80 HPGD (0.43) ALDH1A1HPGDKMT2ALMNATSHR
SCHEMBL6449684 0.78 ALDH1A1 (0.36) ALDH1A1HPGDKMT2ATSHRKDM4E
SCHEMBL10370744 0.77 IDO1 (0.41) ALDH1A1KMT2ALMNAKDM4E
SCHEMBL4610694 0.76 CHRM2 (0.49) POLBTSHR
SCHEMBL4610480 0.76 CHRM2 (0.49) POLBTSHR
SCHEMBL18306406 0.72 HTR2B (0.58) ALDH1A1
SCHEMBL31220928 0.71 FAAH (0.44)
SCHEMBL6455236 0.71 ALDH1A1 (0.36) ALDH1A1HPGDKMT2ALMNAALOX12
SCHEMBL1446331 0.71 KMT2A (0.51) ALDH1A1KMT2ALMNAADRB2ADRB1
SCHEMBL23579155 0.70 KDM4E (0.44) HPGDKMT2ALMNATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP disclosed