SCHEMBL5608285

SCHEMBL5608285

Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(C)c2OP(O)F)c1OP(O)F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.34
HTR1D P28221 2/20 0.33
HTR1B P28222 1/20 0.33
POLB P06746 1/20 0.32
CYP2C9 P11712 4/20 0.32
CYP2D6 P10635 3/20 0.32
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 3/20 0.31
HSPA5 P11021 1/20 0.31
TACR1 P25103 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HIF1A Q16665 3/20 0.30
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4440718 0.86 CYP2C19 (0.33) CYP2C19CYP2C9CYP1A2ALDH1A1HSPA5
SCHEMBL9356236 0.81 AMY1A (0.33) CYP2C19CYP2C9CYP2D6HSPA5HIF1A
SCHEMBL10413834 0.80 USP2 (0.34) HSD17B10SMN1; SMN2
SCHEMBL7651050 0.76 CYP2C19 (0.33) CYP2C19CYP2C9CYP1A2ALDH1A1RXRA
SCHEMBL9356369 0.76 HSPA5 (0.51) CYP2C19POLBCYP2C9CYP2D6ALDH1A1
SCHEMBL9278608 0.72 CYP2C19 (0.35) CYP2C19CYP2C9CYP2D6CYP1A2ALDH1A1
SCHEMBL5083123 0.71 ALDH1A1 (0.38) CYP2C19POLBCYP2C9CYP2D6CYP1A2
SCHEMBL9355764 0.71 HSPA5 (0.54) CYP2C19CYP2C9HSPA5HIF1ASMN1; SMN2
SCHEMBL10415198 0.70 GABRA1 (0.32) RXRARXRBGABRA1GABRB2
SCHEMBL9328498 0.70 ALDH1A1 (0.34) CYP2C19CYP2C9CYP1A2ALDH1A1HSPA5

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
US-7301054-B1 Process for the preparation of glycolaldehyde EASTMAN CHEMICAL COMPANY (US) 2007-11-27 US disclosed