SCHEMBL9212478

SCHEMBL9212478

CCCCCCCCCCNC(CC)CCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.48
DNM1 Q05193 2/20 0.42
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.39
CNR1 P21554 1/20 0.39
ADRA1A P35348 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ABCC3 O15438 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL27355101 0.98 EPHX1 (0.44) EPHX1DNM1TSHRALDH1A1LMNA
SCHEMBL9208917 0.95 EPHX1 (0.48) EPHX1DNM1TSHRALDH1A1LMNA
SCHEMBL9541689 0.95 EPHX1 (0.48) EPHX1DNM1TSHRALDH1A1LMNA
SCHEMBL9206251 0.95 EPHX1 (0.48) EPHX1DNM1TSHRALDH1A1LMNA
SCHEMBL27800763 0.95 EPHX1 (0.48) EPHX1DNM1TSHRALDH1A1LMNA
SCHEMBL24353239 0.95 EPHX1 (0.48) EPHX1DNM1TSHRALDH1A1LMNA
SCHEMBL11699658 0.95 EPHX1 (0.48) EPHX1DNM1TSHRALDH1A1LMNA
SCHEMBL9204346 0.95 EPHX1 (0.48) EPHX1DNM1TSHRALDH1A1LMNA
SCHEMBL14625028 0.95 EPHX1 (0.48) EPHX1DNM1TSHRALDH1A1LMNA
SCHEMBL9205945 0.91 EPHX1 (0.42) EPHX1DNM1TSHRLMNACNR1

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-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed