SCHEMBL29003391

SCHEMBL29003391

CC(C)(C)c1ccc2cc(OP(O)Oc3ccc4cc(C(C)(C)C)ccc4c3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ NR1I2 O75469 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ CCR9 P51686 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TYR P14679 1/20 0.34

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
SCHEMBL1160405 0.82 MAPT (0.47) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL11452731 0.80 MAPT (0.45) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL30403445 0.79 CYP3A4 (0.44) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL28357573 0.79 CYP3A4 (0.44) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL30913901 0.78 NR1I2 (0.38) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL30395437 0.78 ALDH1A1 (0.39) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL348347 0.77 ALDH1A1 (0.52) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL30010382 0.77 ALDH1A1 (0.52) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL2627140 0.76 CYP2A6 (0.56) ALDH1A1TDP1ALOX15HSD17B10MAPT
SCHEMBL9491549 0.76 MAPT (0.50) ALDH1A1TDP1HPGDMAPTMAPK1

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
CN-118103532-A Method for recovering rhodium from a hydroformylation process 陶氏技术投资有限责任公司 2024-05-28 — — CN disclosed
CN-116635362-A Method for improving the metering of catalytic metals in hydroformylation processes 陶氏技术投资有限责任公司 2023-08-22 — — CN disclosed
CN-111212826-B Method for reducing heavies formation in solutions comprising aldehyde compounds formed during hydroformylation 陶氏技术投资有限责任公司 2023-05-23 — — CN disclosed
Send feedback